TmMnB14
Alexandria ALEXAlex-ID: agm005754840 · Space group: Imma (#74)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
ABC14_1_spg74
TmB12 MnB4 TmB4
2023-07-18 14:05:53.460424
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm005754840).
Th. Cavignac, J. Schmidt, P.-P. De Breuck, A. Loew, T. F. T. Cerqueira, H.-C. Wang, A. Bochkarev, Y. Lysogorskiy, A. H. Romero, R. Drautz, S. Botti and M. A. L. Marques. AI-Driven expansion and application of the Alexandria database. J. Phys. Mater. 9, 025014 (2026). https://doi.org/10.1088/2515-7639/ae6620
@article{Cavignac2026Alexandria,
author = {Cavignac, Th{\'e}o and Schmidt, Jonathan and De Breuck, Pierre-Paul and Loew, Antoine
and Cerqueira, Tiago F. T. and Wang, Hai-Chen and Bochkarev, Anton
and Lysogorskiy, Yury and Romero, Aldo H. and Drautz, Ralf and Botti, Silvana
and Marques, Miguel A. L.},
title = {{AI}-Driven expansion and application of the {A}lexandria database},
journal = {Journal of Physics: Materials},
year = {2026},
volume = {9},
number = {2},
pages = {025014},
doi = {10.1088/2515-7639/ae6620},
url = {https://doi.org/10.1088/2515-7639/ae6620}
}3D Crystal Structure Rendering
Loading 3D structure…
# CIF generated by HEAS from Alexandria entry agm005754840
data_agm005754840
_cell_length_a 5.85566
_cell_length_b 7.33315
_cell_length_c 7.33315
_cell_angle_alpha 68.04973
_cell_angle_beta 66.46808
_cell_angle_gamma 66.46808
_cell_volume 255.93875
_symmetry_space_group_name_H-M 'P 1'
_symmetry_Int_Tables_number 1
loop_
_symmetry_equiv_pos_as_xyz
'x, y, z'
loop_
_atom_site_label
_atom_site_type_symbol
_atom_site_fract_x
_atom_site_fract_y
_atom_site_fract_z
_atom_site_occupancy
Tm1 Tm 0.25000 0.37842 0.12158 1.00000
Tm2 Tm 0.75000 0.62158 0.87842 1.00000
Mn1 Mn 0.50000 0.00000 0.50000 1.00000
Mn2 Mn 0.00000 0.00000 0.50000 1.00000
B1 B 0.66710 0.36454 0.30127 1.00000
B2 B 0.33290 0.63546 0.69873 1.00000
B3 B 0.16710 0.80127 0.86454 1.00000
B4 B 0.83290 0.19873 0.13546 1.00000
B5 B 0.13104 0.24090 0.49702 1.00000
B6 B 0.86896 0.75910 0.50298 1.00000
B7 B 0.63104 0.99702 0.74090 1.00000
B8 B 0.36896 0.00298 0.25910 1.00000
B9 B 0.08469 0.08649 0.74413 1.00000
B10 B 0.91531 0.91351 0.25587 1.00000
B11 B 0.58469 0.24413 0.58649 1.00000
B12 B 0.41531 0.75587 0.41351 1.00000
B13 B 0.72229 0.59923 0.27546 1.00000
B14 B 0.59699 0.40077 0.72454 1.00000
B15 B 0.22229 0.77546 0.09923 1.00000
B16 B 0.09699 0.22454 0.90077 1.00000
B17 B 0.27771 0.40077 0.72454 1.00000
B18 B 0.40301 0.59923 0.27546 1.00000
B19 B 0.77771 0.22454 0.90077 1.00000
B20 B 0.90301 0.77546 0.09923 1.00000
B21 B 0.32634 0.96843 0.87475 1.00000
B22 B 0.16953 0.03157 0.12525 1.00000
B23 B 0.82634 0.37475 0.46843 1.00000
B24 B 0.66953 0.62525 0.53157 1.00000
B25 B 0.67366 0.03157 0.12525 1.00000
B26 B 0.83047 0.96843 0.87475 1.00000
B27 B 0.17366 0.62525 0.53157 1.00000
B28 B 0.33047 0.37475 0.46843 1.00000
